pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.11999988555908	QSARToolbox	1	0	COC(=O)[C@@H]([NH3+])Cc1ccc(O)c(O)c1	COC(=O)[C@@H]([NH3+])Cc1ccc([O-])c(O)c1,COC(=O)[C@@H](N)Cc1ccc(O)c(O)c1,COC(=O)[C@@H]([NH3+])Cc1ccc(O)c([O-])c1	mol33947	COC(=O)[C@@H](N)Cc1ccc(O)c(O)c1